Compound Identification
SMILES
COCCN1C(=O)C2=C(SC3=C2CCCC3)N=C1SCC(=O)NNC(=O)C1=CC=C(F)C=C1
InChIKey
InChIKey=KFMZDPXDXPZJQN-UHFFFAOYSA-N
Formula
C22H23FN4O4S2
Mass
490.57
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Halobenzoic acids and derivatives
Direct Parent
4-halobenzoic acids and derivatives
Alternative Parents
Thienopyrimidines Benzoyl derivatives Pyrimidones Alkylarylthioethers Fluorobenzenes Aryl fluorides Thiophenes Heteroaromatic compounds Lactams Carboxylic acid hydrazides Sulfenyl compounds Azacyclic compounds Dialkyl ethers Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-halobenzoic acid or derivatives - Thienopyrimidine - Aryl thioether - Benzoyl - Fluorobenzene - Halobenzene - Alkylarylthioether - Pyrimidone - Aryl fluoride - Aryl halide - Pyrimidine - Heteroaromatic compound - Thiophene - Carboxylic acid hydrazide - Lactam - Carboxylic acid derivative - Dialkyl ether - Ether - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thioether - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 4-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 4-position of the benzene ring.
External Descriptors
Not available